N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide

C19H22IN3O — CID 91676368

IUPACN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2N)CC1
InChIInChI=1S/C19H22IN3O/c1-13-7-9-23(10-8-13)18-6-5-16(12-17(18)21)22-19(24)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3,(H,22,24)
InChIKeyUWAXQEGHKBLVSP-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.36
Rot. Bonds3

About N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide (PubChem CID 91676368) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide
PubChem CID91676368
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2N)CC1
InChIInChI=1S/C19H22IN3O/c1-13-7-9-23(10-8-13)18-6-5-16(12-17(18)21)22-19(24)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3,(H,22,24)
InChIKeyUWAXQEGHKBLVSP-UHFFFAOYSA-N
XLogP4.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676528
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-iodobenzamide
CID 17050224
N-(3-iodo-4-methylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4568202
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide (CID 91676368) is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide is CC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2N)CC1.
What is the InChIKey of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide?
The InChIKey is UWAXQEGHKBLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O/c1-13-7-9-23(10-8-13)18-6-5-16(12-17(18)21)22-19(24)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3,(H,22,24).
What are the key properties of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide?
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide has a molecular weight of 435.31 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 91676368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).